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Substance Name: Trans-phytol
RN: 150-86-7
UNII: MZQ4XE15TP
InChIKey: BOTWFXYSPFMFNR-PYDDKJGSSA-N

Note

  • Acyclic diterpene used in making synthetic forms of vitamin E and vitamin K1.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C20-H40-O

Molecular Weight

  • 296.535
 
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Names and Synonyms

Name of Substance

  • Trans-phytol

MeSH Heading

  • Phytol

Synonyms

  • 3,7,11,15-Tetramethyl-2-hexadecen-1-ol
  • 4-01-00-02208 (Beilstein Handbook Reference)
  • AI3-24344
  • BRN 1726098
  • CCRIS 8226
  • EINECS 205-776-6
  • Phytol
  • trans-Phytol
  • UNII-MZQ4XE15TP

Systematic Names

  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-
  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*-(E)))- (9CI)
  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (theta-(theta,theta-(E)))-
  • 3,7,11,15-Tetramethylhexadec-2-en-1-ol
  • Phytol

Registry Numbers

CAS Registry Number

  • 150-86-7

FDA UNII

  • MZQ4XE15TP

Other Registry Numbers

  • 5016-81-9
  • 951764-81-1

System Generated Number

  • 0000150867

Structure Descriptors

InChI

1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1

InChIKey

BOTWFXYSPFMFNR-PYDDKJGSSA-N

Smiles

C([C@H](CCC\C(=C\CO)C)C)CC[C@@H](CCCC(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 811, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 811, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 8.320 (none)   EST
Atmospheric OH Rate Constant 1.12E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.